Sugi Predict

Sugi Predict / Compounds / SCHEMBL1860285

SCHEMBL1860285

SCHEMBL1860285

Cc1ccc(Cn2ccc(N)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ RAB9A P51151 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CACNA1G O43497 2/20 0.46
▸ CACNA1H O95180 2/20 0.46
▸ CACNA1I Q9P0X4 2/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ TP53 P04637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17316607 0.85 ALDH1A1 (0.57) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL1569200 0.83 ALDH1A1 (0.54) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL17316533 0.81 ALDH1A1 (0.53) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL2271144 0.81 L3MBTL1 (0.66) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL6887684 0.81 RAB9A (0.60) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL634581 0.81 ALDH1A1 (0.65) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL166508 0.81 ALDH1A1 (0.53) ALDH1A1TDP1RAB9ANPC1L3MBTL1
SCHEMBL17316768 0.81 ALDH1A1 (0.53) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL17316644 0.81 ALDH1A1 (0.53) ALDH1A1TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL19086961 0.80 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826605-A1 CATALYZED DYE SYSTEM ELC Management LLC (US) 2021-06-02 — — EP disclosed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 — — CN disclosed
WO-2019191191-A1 CATALYZED DYE SYSTEM ELC MANAGEMENT LLC (US) 2019-10-03 — — WO disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 — — US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 — — US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 — — US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 — — EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 — — US disclosed
CN-106414429-A Pyrazole compounds and their use as T-type calcium channel blockers 埃科特莱茵药品有限公司 2017-02-15 — — CN disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 — — WO disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 — — EP disclosed
US-20100105561-A1 ACTIVATORS OF LATERAL ROOT FORMATION UNIVERSITEIT GENT (BE) 2010-04-29 — — US disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 — — CN disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 — — EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 — — WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885TDP1 2244/4885RAB9A 1269/4885
US-20100105561-A1 ACTIVATORS OF LATERAL ROOT FORMATION CROCC, ARFIP2, RALA ALDH1A1 3385/4885TDP1 4724/4885RAB9A 1108/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885TDP1 2244/4885RAB9A 1269/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885TDP1 2244/4885RAB9A 1269/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885TDP1 2660/4885RAB9A 3108/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.